SCHEMBL17536809

SCHEMBL17536809

O=C(O)C1Cc2ccccc2C1(O)c1nccs1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.38
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
NR3C1 P04150 4/20 0.34
PGR P06401 1/20 0.34
AR P10275 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27630391 0.75 LMNA (0.44) GAAMAPTNR3C1PGRAR
SCHEMBL4431400 0.67 NR3C1 (0.48) GAANR3C1PGRARNPC1
SCHEMBL4431405 0.67 NR3C1 (0.48) GAANR3C1PGRARNPC1
SCHEMBL13600211 0.67 NR3C1 (0.48) GAANR3C1PGRARNPC1
SCHEMBL13600210 0.67 NR3C1 (0.48) GAANR3C1PGRARNPC1
SCHEMBL4440251 0.67 NR3C1 (0.48) GAANR3C1PGRARNPC1
SCHEMBL6071126 0.64 GAA (0.40) GAAMAPTLMNABLMKMT2A
SCHEMBL9527735 0.64 LMNA (0.42) GAAMAPTLMNABLMNFKB1
SCHEMBL8410307 0.64 HDAC9 (0.44) GAAMAPT
SCHEMBL11799039 0.63 AKR1C1 (0.40) GAAMAPTLMNABLMSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083560-B1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2021-10-27 EP disclosed
US-9745295-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-9670196-B2 Thiazole-substituted aminoheteroaryls as Spleen Tyrosine Kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-06-06 US disclosed
US-20160326156-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-11-10 US disclosed
US-20160060255-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK CANADA INC. (CA) 2016-03-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160326156-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS SYK, BTK, TYRO3 OPRL1 1568/4885GAA 2654/4885MAPT 3867/4885
US-20160060255-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS SYK, TYRO3, BTK OPRL1 2012/4885GAA 2261/4885MAPT 3240/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.